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114120-82-0 | Isoxazole, 5-(6-hepten-1-yl)-4,5-dihydro-3-methyl-
CAS No: 114120-82-0 Catalog No: AG000ANC MDL No:
Product Description
Catalog Number:
AG000ANC
Chemical Name:
Isoxazole, 5-(6-hepten-1-yl)-4,5-dihydro-3-methyl-
CAS Number:
114120-82-0
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
5-hept-6-enyl-3-methyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C11H19NO/c1-3-4-5-6-7-8-11-9-10(2)12-13-11/h3,11H,1,4-9H2,2H3
InChI Key:
JGTPNTHGELJDLR-UHFFFAOYSA-N
SMILES:
C=CCCCCCC1ON=C(C1)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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